2-N-ethyl-2-N-(2-methoxyethyl)octane-1,2-diamine

C13H30N2O — CID 61448149

IUPAC2-N-ethyl-2-N-(2-methoxyethyl)octane-1,2-diamine
SMILESCCCCCCC(CN)N(CC)CCOC
InChIInChI=1S/C13H30N2O/c1-4-6-7-8-9-13(12-14)15(5-2)10-11-16-3/h13H,4-12,14H2,1-3H3
InChIKeyMVFFXWCORJSZDI-UHFFFAOYSA-N
MW230.40 g/mol
LogP2.25
Rot. Bonds11

About 2-N-ethyl-2-N-(2-methoxyethyl)octane-1,2-diamine

2-N-ethyl-2-N-(2-methoxyethyl)octane-1,2-diamine (PubChem CID 61448149) has the molecular formula C13H30N2O and a molecular weight of 230.40 g/mol. Its IUPAC name is 2-N-ethyl-2-N-(2-methoxyethyl)octane-1,2-diamine.

Molecular Properties

Compound Name2-N-ethyl-2-N-(2-methoxyethyl)octane-1,2-diamine
PubChem CID61448149
Molecular FormulaC13H30N2O
Molecular Weight230.40 g/mol
Exact Mass230.24
IUPAC Name2-N-ethyl-2-N-(2-methoxyethyl)octane-1,2-diamine
SMILESCCCCCCC(CN)N(CC)CCOC
InChIInChI=1S/C13H30N2O/c1-4-6-7-8-9-13(12-14)15(5-2)10-11-16-3/h13H,4-12,14H2,1-3H3
InChIKeyMVFFXWCORJSZDI-UHFFFAOYSA-N
XLogP2.25
TPSA38.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds11
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500230.40
LogP ≤ 52.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

2-N-(2-methoxyethyl)-2-N-(2-methylpropyl)octane-1,2-diamine
CID 54987130
2-N,2-N-diethyloctadecane-1,2-diamine
CID 142627498
2-N-(2-methoxyethyl)-2-N-methyloctane-1,2-diamine
CID 61427745
2-N,2-N-bis(2-ethoxyethyl)octane-1,2-diamine
CID 82965560
2-N-ethyl-2-N-(2-methylpropyl)octane-1,2-diamine
CID 43273520
2-N-ethyl-2-N-(2-ethylbutyl)octane-1,2-diamine
CID 63472156
2-N,2-N-bis(3-methylbutyl)nonane-1,2-diamine
CID 107869547
2-N,2-N-bis(3-methylbutyl)heptane-1,2-diamine
CID 107869478
2-N-ethyl-2-N-(2,2,2-trifluoroethyl)heptane-1,2-diamine
CID 114998355
2-N,2-N-bis(2-methylpropyl)heptane-1,2-diamine
CID 55193032
4-N-ethyl-4-N-(2-methoxyethyl)pentane-1,4-diamine
CID 62436479
2-N-(2-methoxyethyl)-2-N-(3-methoxypropyl)-5-methylsulfanylpentane-1,2-diamine
CID 103088754

Frequently Asked Questions

What is the IUPAC name of 2-N-ethyl-2-N-(2-methoxyethyl)octane-1,2-diamine?
The IUPAC name of 2-N-ethyl-2-N-(2-methoxyethyl)octane-1,2-diamine (CID 61448149) is 2-N-ethyl-2-N-(2-methoxyethyl)octane-1,2-diamine.
What is the SMILES notation for 2-N-ethyl-2-N-(2-methoxyethyl)octane-1,2-diamine?
The canonical SMILES for 2-N-ethyl-2-N-(2-methoxyethyl)octane-1,2-diamine is CCCCCCC(CN)N(CC)CCOC.
What is the InChIKey of 2-N-ethyl-2-N-(2-methoxyethyl)octane-1,2-diamine?
The InChIKey is MVFFXWCORJSZDI-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H30N2O/c1-4-6-7-8-9-13(12-14)15(5-2)10-11-16-3/h13H,4-12,14H2,1-3H3.
What are the key properties of 2-N-ethyl-2-N-(2-methoxyethyl)octane-1,2-diamine?
2-N-ethyl-2-N-(2-methoxyethyl)octane-1,2-diamine has a molecular weight of 230.40 g/mol, XLogP of 2.25, 11 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-N-ethyl-2-N-(2-methoxyethyl)octane-1,2-diamine is sourced from PubChem (CID 61448149), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).